1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide

C10H8N2O2S — CID 141012996

IUPAC1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
SMILESO=S1(=O)N=C2C=CCN2c2ccccc21
InChIInChI=1S/C10H8N2O2S/c13-15(14)9-5-2-1-4-8(9)12-7-3-6-10(12)11-15/h1-6H,7H2
InChIKeyKBPDZNPJIMECOS-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.16
Rot. Bonds

About 1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide

1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide (PubChem CID 141012996) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide.

Molecular Properties

Compound Name1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
PubChem CID141012996
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
SMILESO=S1(=O)N=C2C=CCN2c2ccccc21
InChIInChI=1S/C10H8N2O2S/c13-15(14)9-5-2-1-4-8(9)12-7-3-6-10(12)11-15/h1-6H,7H2
InChIKeyKBPDZNPJIMECOS-UHFFFAOYSA-N
XLogP1.16
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H-1,2,4-Benzothiadiazine, 3-methyl-, 1,1-dioxide
CID 67760
4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide
CID 198690
4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide
CID 198691
N-[2,2,2-trifluoro-1-(methylanilino)ethylidene]benzenesulfonamide
CID 11841933
4-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 2137931
1-Ethyl-5-methyl-pyrido[3,2-c][1,2,5]benzothiadiazepine 6,6-dioxide
CID 462245
7-Chloro-3,4-dimethyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 21829529
7-Fluoro-4-methyl-3-(methylthio)-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide
CID 26598992
2H-1,2,4-Benzothiadiazine-3-methanamine, 1,1-dioxide
CID 199850
4H-1,2,4-Benzothiadiazine, 3-chloro-4-phenyl-, 1,1-dioxide
CID 3065175
7-fluoro-2,3-dihydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
CID 2345188
4-[(3-Fluorophenyl)methyl]-3-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 4275514

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide?
The IUPAC name of 1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide (CID 141012996) is 1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide.
What is the SMILES notation for 1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide?
The canonical SMILES for 1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide is O=S1(=O)N=C2C=CCN2c2ccccc21.
What is the InChIKey of 1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide?
The InChIKey is KBPDZNPJIMECOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-15(14)9-5-2-1-4-8(9)12-7-3-6-10(12)11-15/h1-6H,7H2.
What are the key properties of 1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide?
1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide has a molecular weight of 220.25 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide is sourced from PubChem (CID 141012996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).